(4S)-4-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-5-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C43H68N12O16S MolecularWeight: 1041.13582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C43H68N12O16S/c1-4-21(2)34(41(69)51-26(12-14-32(59)60)36(64)50-27(15-17-72-3)37(65)52-28(42(70)71)6-5-16-48-43(46)47)55-38(66)25(11-13-31(45)58)49-40(68)30(20-56)54-39(67)29(18-22-7-9-23(57)10-8-22)53-35(63)24(44)19-33(61)62/h7-10,21,24-30,34,56-57H,4-6,11-20,44H2,1-3H3,(H2,45,58)(H,49,68)(H,50,64)(H,51,69)(H,52,65)(H,53,63)(H,54,67)(H,55,66)(H,59,60)(H,61,62)(H,70,71)(H4,46,47,48)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1